General Information of the Compound
| Compound ID |
CP0965250
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| Compound Name |
4-Methyl-1-(8-(4-(tert-pentyl)phenoxy)octyl)piperidine hydrogen oxalate
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| Structure |
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| Formula |
C27H45NO5
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| Molecular Weight |
463.659
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| Canonical SMILES |
CCC(C)(C)c1ccc(OCCCCCCCCN2CCC(C)CC2)cc1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C25H43NO.C2H2O4/c1-5-25(3,4)23-12-14-24(15-13-23)27-21-11-9-7-6-8-10-18-26-19-16-22(2)17-20-26;3-1(4)2(5)6/h12-15,22H,5-11,16-21H2,1-4H3;(H,3,4)(H,5,6)
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| InChIKey |
ZTFZYKDEJXPZGX-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound